tetrazine-5-carboxamide

C3H3N5O — CID 67129373

IUPACtetrazine-5-carboxamide
SMILESNC(=O)c1cnnnn1
InChIInChI=1S/C3H3N5O/c4-3(9)2-1-5-7-8-6-2/h1H,(H2,4,9)
InChIKeyKZPRSYXFRRKMGX-UHFFFAOYSA-N
MW125.09 g/mol
LogP-1.63
Rot. Bonds1

About tetrazine-5-carboxamide

tetrazine-5-carboxamide (PubChem CID 67129373) has the molecular formula C3H3N5O and a molecular weight of 125.09 g/mol. Its IUPAC name is tetrazine-5-carboxamide.

Molecular Properties

Compound Nametetrazine-5-carboxamide
PubChem CID67129373
Molecular FormulaC3H3N5O
Molecular Weight125.09 g/mol
Exact Mass125.03
IUPAC Nametetrazine-5-carboxamide
SMILESNC(=O)c1cnnnn1
InChIInChI=1S/C3H3N5O/c4-3(9)2-1-5-7-8-6-2/h1H,(H2,4,9)
InChIKeyKZPRSYXFRRKMGX-UHFFFAOYSA-N
XLogP-1.63
TPSA94.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.09
LogP ≤ 5-1.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tetrazine-5-carboxamide?
The IUPAC name of tetrazine-5-carboxamide (CID 67129373) is tetrazine-5-carboxamide.
What is the SMILES notation for tetrazine-5-carboxamide?
The canonical SMILES for tetrazine-5-carboxamide is NC(=O)c1cnnnn1.
What is the InChIKey of tetrazine-5-carboxamide?
The InChIKey is KZPRSYXFRRKMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N5O/c4-3(9)2-1-5-7-8-6-2/h1H,(H2,4,9).
What are the key properties of tetrazine-5-carboxamide?
tetrazine-5-carboxamide has a molecular weight of 125.09 g/mol, XLogP of -1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tetrazine-5-carboxamide is sourced from PubChem (CID 67129373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).